1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione

C12H20F2N2O2 — CID 64886162

IUPAC1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)F
InChIInChI=1S/C12H20F2N2O2/c1-4-8-10(17)15-12(5-2,6-3)11(18)16(8)7-9(13)14/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeySTVLVQMWEIJZRH-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.55
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione

1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione (PubChem CID 64886162) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione
PubChem CID64886162
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)F
InChIInChI=1S/C12H20F2N2O2/c1-4-8-10(17)15-12(5-2,6-3)11(18)16(8)7-9(13)14/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeySTVLVQMWEIJZRH-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione (CID 64886162) is 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione?
The InChIKey is STVLVQMWEIJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-4-8-10(17)15-12(5-2,6-3)11(18)16(8)7-9(13)14/h8-9H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione?
1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione has a molecular weight of 262.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione is sourced from PubChem (CID 64886162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).